6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C19H14F6N6 — CID 144848728

IUPAC6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESC=Nc1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1/C=C\C
InChIInChI=1S/C19H14F6N6/c1-3-8-31-15(16(19(23,24)25)30-17(31)26-2)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(20,21)22/h3-10H,2H2,1H3,(H,28,29)/b8-3-
InChIKeyQQABFQANFWNNPF-BAQGIRSFSA-N
MW440.35 g/mol
LogP5.94
Rot. Bonds5

About 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 144848728) has the molecular formula C19H14F6N6 and a molecular weight of 440.35 g/mol. Its IUPAC name is 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID144848728
Molecular FormulaC19H14F6N6
Molecular Weight440.35 g/mol
Exact Mass440.12
IUPAC Name6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESC=Nc1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1/C=C\C
InChIInChI=1S/C19H14F6N6/c1-3-8-31-15(16(19(23,24)25)30-17(31)26-2)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(20,21)22/h3-10H,2H2,1H3,(H,28,29)/b8-3-
InChIKeyQQABFQANFWNNPF-BAQGIRSFSA-N
XLogP5.94
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 144848728) is 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is C=Nc1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1/C=C\C.
What is the InChIKey of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is QQABFQANFWNNPF-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H14F6N6/c1-3-8-31-15(16(19(23,24)25)30-17(31)26-2)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(20,21)22/h3-10H,2H2,1H3,(H,28,29)/b8-3-.
What are the key properties of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 440.35 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 144848728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).